Geometry & MOs

Info

ID:	250472
PubChem CID:	103096886
Reduced:	NOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	-58.73
Dipole, Da:	3.03
IP(EA), eV:	-8.75(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropan-1-amine

Drug info:

PubChemData

Smile

CC(=CCNC1CCCCC1OC)C

DOS

IR

Vibrations